CID 547522

1h-indole-2-ethanamine, alpha,alpha-dimethyl-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C18H25N3
SMILES
CC(C)(CC1=C(C2=CC=CC=C2N1)C3=CCN(CC3)C)N
InChI
InChI=1S/C18H25N3/c1-18(2,19)12-16-17(13-8-10-21(3)11-9-13)14-6-4-5-7-15(14)20-16/h4-8,20H,9-12,19H2,1-3H3
InChIKey
AYENKGLDEPKBIU-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-2-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.212106 170.8
[M+Na]+ 306.194048 178.0
[M-H]- 282.197554 174.0
[M+NH4]+ 301.238653 186.0
[M+K]+ 322.167988 171.6
[M+H-H2O]+ 266.202090 162.7
[M+HCOO]- 328.203031 187.7
[M+CH3COO]- 342.218681 180.9
[M+Na-2H]- 304.179496 173.8
[M]+ 283.20428142 167.7
[M]- 283.20537858 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.